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Substance Name: ICI 125436
RN: 67631-88-3
InChIKey: SRCOWHUPXKTKOC-UHFFFAOYSA-N

Molecular Formula

  • C30-H42-N2-O7

Molecular Weight

  • 542.669
 
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Names and Synonyms

Name of Substance

  • ICI 125436

Synonym

  • ICI 125,436

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, 4-(2-((1,1-dimethyl-2-((phenoxyacetyl)amino)ethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester

Registry Numbers

CAS Registry Number

  • 67631-88-3

System Generated Number

  • 0067631883

Structure Descriptors

InChI

1S/C30H42N2O7/c1-28(2,3)26(35)38-23-15-14-20(16-24(23)39-27(36)29(4,5)6)22(33)17-32-30(7,8)19-31-25(34)18-37-21-12-10-9-11-13-21/h9-16,22,32-33H,17-19H2,1-8H3,(H,31,34)

InChIKey

SRCOWHUPXKTKOC-UHFFFAOYSA-N

Smiles

N(C(CNC(=O)COc1ccccc1)(C)C)C[C@@H](c1cc(c(OC(C(C)(C)C)=O)cc1)OC(C(C)(C)C)=O)O